Ethylpyridin-2-carboxylat

Ethyl 2-pyridinecarboxylate

HCID 17307CAS 2524-52-9

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Grundinformationen

Standard-SMILES: CCOC(=O)c1ccccn1
InChIKey: FQYYIPZPELSLDK-UHFFFAOYSA-N
Summenformel: C8H9NO2
Durchschnittliche Molmasse: 151,16 g/mol
Monoisotopische Masse: 151,06332853

Namen und Bezeichner

Bevorzugter Name: Ethyl 2-pyridinecarboxylate
IUPAC: ethyl pyridine-2-carboxylate
Lokaler Name: Ethylpyridin-2-carboxylat
Englischer Name: Ethyl picolinate
Summenformel: C8H9NO2
Molmasse: 151.16

Namen und Synonyme

ETHYL PICOLINATE2524-52-9Ethyl pyridine-2-carboxylateEthyl 2-pyridinecarboxylate2-Pyridinecarboxylic acid, ethyl ester2-pyridinecarboxylic acid ethyl esterRW5EU98AZQNSC-959NSC-31651DTXSID9062489RefChem:139045DTXCID9037246

Weitere Namen anzeigen

Ethyl picoliteEthyl pyridinatePyridine-2-A Ethyl2-ETHYL PICOLINATERARECHEM AL BI 0182Ethyl picolinate ,99%Ethyl 2-picolinate 99%Ethyl 2-picolinate ,99%

219-758-0Ethyl 2-picolinate2-Picolinic acid ethyl esterPicolinic acid ethyl ester2-(Ethoxycarbonyl)pyridinePicolinic acid, ethyl esterMFCD00006292Ethyl2-picolinate

Datenbank-Bezeichner

CAS: 2524-52-9
PubChem CID: 17307
DTXSID: DTXSID9062489
ChEMBL: CHEMBL2251607
UNII: RW5EU98AZQ
EC Number: 219-758-0
Nikkaji: J27.973K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 136

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

FragrancesFragrance Ingredient (2-Pyridinecarboxylic acid, ethyl ester) -> IFRA transparency List

Physikochemische Eigenschaften

Schmelzpunkt: 2 °C · 2 °C (lit.)
Siedepunkt: 240 · 240-241 °C (lit.)
Dichte: 1.119 g/mL · 1.119 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.511(lit.)
Flammpunkt: 225 °F · 225 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
Aggregatzustand: Liquid
pka: 1.83 · 1.83±0.10(Predicted)
Farbe: Clear yellow or pink
Wasserlöslichkeit: miscible
BRN: 122485 · 122485
InChI: 1S/C8H9NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3
InChIKey: FQYYIPZPELSLDK-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccccn1
LogP: 0.87 · 0.870
CAS Datenbank: 2524 · 2524-52-9(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Pyridinecarboxylic acid, ethyl ester(2524-52-9)
EPA chemische Informationen: Ethyl picolinate (2524-52-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 66.7% (90 of 135) of all reports.

Warning

H315 (29.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 135 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 2-Pyridinecarboxylic acid, ethyl ester

2-Pyridinecarboxylic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (29.6%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29333999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationFragrance Ingredients

General Manufacturing Information2-Pyridinecarboxylic acid, ethyl ester: ACTIVE

Anwendungen

VerwendenEthyl picolinate can be used in the preparation of 2-Aminodihydro[1,3]thiazines as BACE 2 inhibitors and their preparation and use in the treatment of diabetes.